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Isolation and structure elucidation of two new cassane derivatives from the seed kernels of Caesalpinia sinensis.

Lian LianYe YangDan-Dan GuoYan-Fang YanHui-Yuan GaoXian-Zhe LiMiao Wang
Published in: Journal of Asian natural products research (2021)
Two new cassane-type derivatives (1-2), together with three known compounds (3-5), were isolated from the seed kernels of Caesalpinia sinensis. Their structures were elucidated on the basis of interpretation of comprehensive spectroscopic data, including HRESIMS and 1D/2D NMR spectroscopy, and the absolute configuration were established by means of ECD calculation. Compound 2, possessing a 16-degradative cassane skeleton, was rarely encountered in cassane diterpenoids isolated from the genus Caesalpinia. All compounds were evaluated for their anti-inflammatory activities against the overproduction of NO in LPS-stimulated RAW 264.7 macrophages, and compounds 1-5 could inhibit production of NO at the concentration of 50 μM.
Keyphrases
  • anti inflammatory
  • inflammatory response
  • electronic health record
  • artificial intelligence
  • data analysis
  • molecular dynamics simulations